12-Hydroxy-8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione
| Internal ID | 6e6fa956-5a96-4a8b-9c29-c9afe7e1b353 |
| Taxonomy | Phenylpropanoids and polyketides > Macrolactams |
| IUPAC Name | 12-hydroxy-8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione |
| SMILES (Canonical) | C1CNC(=O)CC(NCCC2(CN(C1)C(=O)C3=CC=CC=C32)O)C4=CC=CC=C4 |
| SMILES (Isomeric) | C1CNC(=O)CC(NCCC2(CN(C1)C(=O)C3=CC=CC=C32)O)C4=CC=CC=C4 |
| InChI | InChI=1S/C23H27N3O3/c27-21-15-20(17-7-2-1-3-8-17)24-13-11-23(29)16-26(14-6-12-25-21)22(28)18-9-4-5-10-19(18)23/h1-5,7-10,20,24,29H,6,11-16H2,(H,25,27) |
| InChI Key | CKMFMNKEBARFNU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H27N3O3 |
| Molecular Weight | 393.50 g/mol |
| Exact Mass | 393.20524173 g/mol |
| Topological Polar Surface Area (TPSA) | 81.70 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 12-Hydroxy-8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/12-hydroxy-8-phenyl-159-triazatricyclo107101318icosa-131517-triene-619-dione.jpg "2D Structure of 12-Hydroxy-8-phenyl-1,5,9-triazatricyclo[10.7.1.013,18]icosa-13,15,17-triene-6,19-dione")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.08% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.26% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.35% | 97.09% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 91.68% | 96.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.63% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.06% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.93% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.92% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.88% | 91.49% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.93% | 95.88% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.43% | 93.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.32% | 82.69% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.54% | 96.67% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.66% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.28% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.49% | 97.25% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.30% | 93.04% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 81.74% | 92.97% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 81.68% | 83.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Gymnosporia mossambicensis |
| PubChem | 72980181 |
| LOTUS | LTS0219617 |
| wikiData | Q104962525 |